Carbamimidothioic acid, pentyl ester
Basic information
- CAS
20267-74-7- Standard SMILES
CCCCCSC(=N)N- InChIKey
HJLINEXLRZJOQU-UHFFFAOYSA-N- Molecular formula
- C6H14N2S
- Average molar mass
- 146.26 g/mol
- Monoisotopic mass
- 146.08776963
Names & identifiers
- Preferred name
- Carbamimidothioic acid, pentyl ester
- IUPAC
- pentyl carbamimidothioate
- English name
- Carbamimidothioic acid S-pentyl ester
- Molecular formula
- C6H14N2S
- Molecular weight
- 146.25
Names & synonyms
Pseudourea, 2-pentyl-2-thio-Carbamimidothioic acid, pentyl esterRefChem:574075S-Pentylisothioureapentyl carbamimidothioate20267-74-7SCHEMBL6216529DTXSID0066587HJLINEXLRZJOQU-UHFFFAOYSA-NPENTYLSULFANYLMETHANIMIDAMIDEALBB-031730AKOS006340282
Show more names
2-Pentyl-isothioureaCarbamimidothioic acid pentyl esterCarbamimidothioic acid S-pentyl ester
DB-221741
Database identifiers
- CAS
20267-74-7- PubChem CID
- 88445
- DTXSID
DTXSID0066587- Nikkaji
- J422.060I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- EPA Substance Registry System
- S-Pentylisothiourea (20267-74-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamimidothioic acid, pentyl ester: INACTIVE
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Related reactions
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Compound notes
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